LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# 2-d LJ flow simulation

dimension	2
boundary	p s p

atom_style	atomic
neighbor	0.3 bin
neigh_modify	delay 5

# create geometry

lattice		hex 0.7
Lattice spacing in x,y,z = 1.28436 2.22457 1.28436
region		box block 0 20 0 10 -0.25 0.25
create_box	3 box
Created orthogonal box = (0 0 -0.321089) to (25.6871 22.2457 0.321089)
  2 by 2 by 1 MPI processor grid
create_atoms	1 box
Created 420 atoms
  Time spent = 0.00031352 secs

mass		1 1.0
mass		2 1.0
mass		3 1.0

# LJ potentials

pair_style	lj/cut 1.12246
pair_coeff	* * 1.0 1.0 1.12246

# define groups

region	     1 block INF INF INF 1.25 INF INF
group	     lower region 1
60 atoms in group lower
region	     2 block INF INF 8.75 INF INF INF
group	     upper region 2
60 atoms in group upper
group	     boundary union lower upper
120 atoms in group boundary
group	     flow subtract all boundary
300 atoms in group flow

set	     group lower type 2
  60 settings made for type
set	     group upper type 3
  60 settings made for type

# initial velocities

compute	     mobile flow temp
velocity     flow create 1.0 482748 temp mobile
fix	     1 all nve
fix	     2 flow temp/rescale 200 1.0 1.0 0.02 1.0
fix_modify   2 temp mobile

# Couette flow

velocity     lower set 0.0 0.0 0.0
velocity     upper set 3.0 0.0 0.0
fix	     3 boundary setforce 0.0 0.0 0.0
fix	     4 all enforce2d

# Poiseuille flow

#velocity     boundary set 0.0 0.0 0.0
#fix	     3 lower setforce 0.0 0.0 0.0
#fix	     4 upper setforce 0.0 NULL 0.0
#fix	     5 upper aveforce 0.0 -1.0 0.0
#fix	     6 flow addforce 0.5 0.0 0.0
#fix	     7 all enforce2d

# Run

timestep	0.003
thermo		500
thermo_modify	temp mobile
WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)

#dump		1 all atom 500 dump.flow

#dump		2 all image 100 image.*.jpg type type #		zoom 1.6 adiam 1.2
#dump_modify	2 pad 5

#dump		3 all movie 100 movie.mpg type type #		zoom 1.6 adiam 1.2
#dump_modify	3 pad 5

run		10000
Neighbor list info ...
  update every 1 steps, delay 5 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 1.42246
  ghost atom cutoff = 1.42246
  binsize = 0.71123, bins = 37 32 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/2d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.048 | 3.048 | 3.048 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
       0            1            0            0   0.71190476   0.52314537    571.54286 
     500    1.0951876  -0.33403931            0   0.44562996    3.2502319    571.54286 
    1000            1   -0.3731019            0   0.33880286    2.8561715    571.54286 
    1500    1.0366879  -0.36031105            0   0.37771198    3.0196355    571.54286 
    2000            1  -0.41052999            0   0.30137477     2.865191    571.54286 
    2500    1.1227078  -0.37036396            0   0.42889708     2.944809    571.54286 
    3000            1   -0.3831188            0   0.32878596    2.6840526    571.54286 
    3500    1.0822111  -0.42234615            0   0.34808509    2.8119594    571.54286 
    4000            1  -0.40805417            0   0.30385059    2.5977913    571.54286 
    4500    1.0910738  -0.37103658            0   0.40570404    2.3742519    571.54286 
    5000            1  -0.46702664            0   0.24487812    2.5666252    571.54286 
    5500    1.0411533  -0.40531814            0   0.33588386    2.5125963    571.54286 
    6000            1  -0.36183137            0   0.35007339    2.4382625    571.54286 
    6500    1.0533061  -0.38887062            0     0.360983    2.6032319    571.54286 
    7000            1  -0.49087253            0   0.22103223    2.4362009    571.54286 
    7500     1.056871  -0.42142263            0   0.33096887    2.5406254    571.54286 
    8000            1  -0.40440166            0    0.3075031    2.3664523    571.54286 
    8500    1.0340789  -0.36193981            0   0.37422586    2.4461942    571.54286 
    9000            1  -0.45171969            0   0.26018507    2.5525861    571.54286 
    9500    1.0322994  -0.40989898            0   0.32499991    2.6021234    571.54286 
   10000            1  -0.42489516            0   0.28700961     2.619505    571.54286 
Loop time of 0.172876 on 4 procs for 10000 steps with 420 atoms

Performance: 14993379.796 tau/day, 57844.829 timesteps/s
95.2% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.024842   | 0.030136   | 0.036735   |   3.1 | 17.43
Neigh   | 0.014276   | 0.015892   | 0.017287   |   1.1 |  9.19
Comm    | 0.065952   | 0.075937   | 0.084912   |   3.2 | 43.93
Output  | 0.00034285 | 0.00042874 | 0.00067973 |   0.0 |  0.25
Modify  | 0.024682   | 0.026202   | 0.028216   |   1.0 | 15.16
Other   |            | 0.02428    |            |       | 14.05

Nlocal:    105 ave 113 max 97 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:    39.5 ave 43 max 36 min
Histogram: 1 0 0 0 1 1 0 0 0 1
Neighs:    236.75 ave 287 max 183 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 947
Ave neighs/atom = 2.25476
Neighbor list builds = 966
Dangerous builds = 0
Total wall time: 0:00:00
